Vitas-M small molecule compound
{4-[(3aR,4R,4aR,7aS,8R,8aR)-6-tert-butyl-5,7-dioxo-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl]phenoxy}acetonitrile
Catalog ID
STK582676
SMILES N#CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C(C)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H23N3O4 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4/c1-22(2,3)25-20(26)15-13-10-14(16(15)21(25)27)19-17(13)18(24-29-19)11-4-6-12(7-5-11)28-9-8-23/h4-7,13-17,19H,9-10H2,1-3H3/t13-,14+,15+,16-,17+,19+/m0/s1InChIKey
QTZBGTNBHOMLKS-CFIJBQEISA-NSynonyms
1212080-28-8(4((3aR4R4aR7aS8R8aR)6tertbutyl57dioxo44a5677a88aoctahydro3aH48methano(12)oxazolo(45f)isoindol3yl)phenoxy)acetonitrile
1212080288
2(4((3aR4R4aR7aS8R8aR)6(tertbutyl)57dioxo44a5677a88aoctahydro3aH48methanoisoxazolo(45f)isoindol3yl)phenoxy)acetonitrile
CC(C)(C)N1C(=O)C2C3CC(C2C1=O)C4C3C(=NO4)C5=CC=C(C=C5)OCC#N
InChI=1SC22H23N3O4c122(23)2520(26)15131014(16(15)21(25)27)1917(13)18(242919)114612(7511)289823h47131719H910H213H3t1314+1516+1719m1s1
MFCD18245699
N#CCOc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)C(C)(C)C
N#CCOc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)C(C)(C)C
ZINC000005324006
Check stock
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Check stock on Vitas-MAvailable files
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